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Table 1 Calculated energies (in hartree, H) for formation of the complexes MAsS(SH)(OH) and M(SH)2- in the gas phase from M(OH2)2+ and ligand(s), obtained from polarized SBK MP2 equilibrium geometries and energies, for complexes of Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+, Tl+ and Pb2+

From: Theoretical studies on metal thioarsenites and thioantimonides: synergistic interactions between transition metals and heavy metalloids

 

Complex

Cation

MAsS(SH)(OH)

M(SH)2-1

Cu+

-0.1886

-0.3168

Ag+

-0.1638

-0.3007

Au+

-0.2120

-0.3470

Zn2+

-0.3866

-0.7285

Cd2+

-0.3705

-0.6987

Hg2+

-0.3960

-0.7487

Tl+

-0.0746

-0.0941

Pb2+

-0.4045

-0.4805